1-Boc-4-(2-bromoacetyl)piperidine - CAS 301221-79-4

Catalog:	BB020457
Product Name:	1-Boc-4-(2-bromoacetyl)piperidine
CAS:	301221-79-4
Synonyms:	4-(2-bromo-1-oxoethyl)-1-piperidinecarboxylic acid tert-butyl ester; tert-butyl 4-(2-bromoacetyl)piperidine-1-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl 4-(2-bromoacetyl)piperidine-1-carboxylate
Description:	1-Boc-4-(2-bromoacetyl)piperidine (CAS# 301221-79-4) is a useful research chemical.
Molecular Weight:	306.20
Molecular Formula:	C12H20BrNO3
Canonical SMILES:	CC(C)(C)OC(=O)N1CCC(CC1)C(=O)CBr
InChI:	InChI=1S/C12H20BrNO3/c1-12(2,3)17-11(16)14-6-4-9(5-7-14)10(15)8-13/h9H,4-8H2,1-3H3
InChI Key:	HYRSGTXIVIMOOX-UHFFFAOYSA-N
MDL:	MFCD11975555
LogP:	2.53540

Publication Number	Title	Priority Date
US-2021315896-A1	Indazole based compounds and associated methods of use	20200321
WO-2021194878-A1	Selective modulators of mutant lrrk2 proteolysis and associated methods of use	20200321
WO-2021194879-A1	Indazole based compounds and associated methods of use	20200321
WO-2020219591-A1	Therapeutic methods and compounds	20190426
WO-2020150626-A1	Imidazo[1,2-a]pyridinyl derivatives as irak4 inhibitors	20190118

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GHS Hazard Statement:	H302+H332 (50%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation]; H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	291
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	305.06266
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	305.06266
Rotatable Bond Count:	4
Topological Polar Surface Area:	46.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1